2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone

C15H13ClFNO — CID 107890839

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cl)c(F)c2)c(C)n1
InChIInChI=1S/C15H13ClFNO/c1-9-3-5-12(10(2)18-9)15(19)8-11-4-6-13(16)14(17)7-11/h3-7H,8H2,1-2H3
InChIKeyCKNVPAIWZAAZMX-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.92
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone

2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone (PubChem CID 107890839) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
PubChem CID107890839
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cl)c(F)c2)c(C)n1
InChIInChI=1S/C15H13ClFNO/c1-9-3-5-12(10(2)18-9)15(19)8-11-4-6-13(16)14(17)7-11/h3-7H,8H2,1-2H3
InChIKeyCKNVPAIWZAAZMX-UHFFFAOYSA-N
XLogP3.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
CID 114012654
2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 114033677
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555
2-(4-chloro-3-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethanone
CID 107890599
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 107891606
2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone
CID 114012626
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890861
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 105084447

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone (CID 107890839) is 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone is Cc1ccc(C(=O)Cc2ccc(Cl)c(F)c2)c(C)n1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone?
The InChIKey is CKNVPAIWZAAZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-9-3-5-12(10(2)18-9)15(19)8-11-4-6-13(16)14(17)7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone?
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone has a molecular weight of 277.73 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone is sourced from PubChem (CID 107890839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).